Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | KIF20A | O95235 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CPT1A | P50416 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL853915 | 0.86 | HTT (0.35) | MTNR1AMTNR1BCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL854495 | 0.82 | CCKBR (0.35) | MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL853770 | 0.79 | NR1H2 (0.36) | MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2489921 | 0.78 | ITGB3 (0.37) | TSHRKMT2A | |
| SCHEMBL861190 | 0.73 | MAOA (0.42) | MTNR1AMTNR1B | |
| SCHEMBL853670 | 0.71 | NR1H2 (0.36) | MTNR1AMTNR1BGAAMEN1KMT2A | |
| SCHEMBL853983 | 0.69 | ITGB3 (0.35) | MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL860965 | 0.68 | ITGB3 (0.52) | — | |
| SCHEMBL852604 | 0.65 | KDM4E (0.42) | GAAALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL854074 | 0.65 | ITGB3 (0.39) | MEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425010-B8 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICALS INC (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-1425010-A4 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1425010-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-06-09 | — | — | EP | disclosed |
| WO-2002060438-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-08-08 | — | — | WO | disclosed |